Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73497
- Core Entity Id
- 136146
- Source Entity Count
- 1
- Preferred Name
- Massoniresinol
- Name En
- Pubchem Id
- 91885243
- Smiles Canonical
- COC1=C(C=CC(=C1)CC2(COC(C2(CO)O)C3=CC(=C(C=C3)O)OC)O)O
- Molecular Formula
- C20H24O8
- Molecular Weight
- 392.1500
- Inchikey
- ZTWZAVCISGQPJH-AQNXPRMDSA-N
- Inchi
- InChI=1S/C20H24O8/c1-26-16-7-12(3-5-14(16)22)9-19(24)11-28-18(20(19,25)10-21)13-4-6-15(23)17(8-13)27-2/h3-8,18,21-25H,9-11H2,1-2H3/t18-,19-,20+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.8000
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 129.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Massoniresinol
Itcmdb Generated
ITX-INGREDIENT-CC62ADF3942F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
392.150
Molecular Formula
C20H24O8
Fda Maximum Daily Dose (Fdamdd)
0.467
Quantitative Estimate Of Drug Likeness（Qed）
0.490